Geometry & MOs

Info

ID:

239689

PubChem CID:

93166901

Reduced:

ClSN3O3C24H30 (1)

Stoich.:

ABC3D3E24F30 (1)

Weight, g/mol:

523.169641

ΔHf, kcal/mol:

-81.82

Dipole, Da:

5.57

IP(EA), eV:

 -8.94(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[(4R)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-1-(cyclopropylmethyl)-3-(4-methylphenyl)urea

Drug info:

PubChemData

Smile

CC(C)NC(=O)N(CC1CC1)CC(=O)N2CCC3=C([C@@H]2COC4=CC=C(C=C4)Cl)C=CS3

DOS

IR

Vibrations